6-Octadecenoic acid, methyl ester, Z

Compound Structure:

Synonyms:

Methyl trans-6-Octadecenoate;14620-36-1;METHYL 6-OCTADECENOATE;methyl (E)-octadec-6-enoate;6-Octadecenoic acid, methyl ester;Petroselaidic Acid Methyl Ester;52355-31-4;Methyl Petroselaidate

Compound ID:

NMPC-479

PubChem ID:

5366845

Molecular Formula:

C19H36O2

Canonical SMILES:

CCCCCCCCCCCC=CCCCCC(=O)OC

InChIKey:

QRTVDKVXAFJVRU-BUHFOSPRSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	296.5 g/mol
XLogP3-AA	7.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	296.271530387 g/mol
Monoisotopic Mass	296.271530387 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Urena lobata

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